2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone

C22H23FN2O — CID 113087318

IUPAC2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C22H23FN2O/c1-15-22(18-7-3-5-9-20(18)24-15)16-10-12-25(13-11-16)21(26)14-17-6-2-4-8-19(17)23/h2-9,16,24H,10-14H2,1H3
InChIKeyPTGQTRVAYMZTTR-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.56
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone (PubChem CID 113087318) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
PubChem CID113087318
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
SMILESCc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2ccccc2F)CC1
InChIInChI=1S/C22H23FN2O/c1-15-22(18-7-3-5-9-20(18)24-15)16-10-12-25(13-11-16)21(26)14-17-6-2-4-8-19(17)23/h2-9,16,24H,10-14H2,1H3
InChIKeyPTGQTRVAYMZTTR-UHFFFAOYSA-N
XLogP4.56
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 60552261
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone
CID 86821360
2-(4-methoxyphenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087303
cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860
4-(2-methyl-1H-indol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113087330
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113087329
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 60552262
5-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]pentan-1-ol
CID 110923848
2-(2-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 173160749
2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 47320292

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone (CID 113087318) is 2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone is Cc1[nH]c2ccccc2c1C1CCN(C(=O)Cc2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is PTGQTRVAYMZTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-15-22(18-7-3-5-9-20(18)24-15)16-10-12-25(13-11-16)21(26)14-17-6-2-4-8-19(17)23/h2-9,16,24H,10-14H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 350.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113087318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).